3-[5-[2-[(4-dimethylaminophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]propanamide

Systemtic Name: 3-[5-[2-[(4-dimethylaminophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]propanamide Openeye Name: 3-[5-[2-[4-(dimethylamino)anilino]-2-oxo-ethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]propanamide CAS Name: 3-[5-[[2-[4-(dimethylamino)anilino]-2-oxoethyl]thio]-4-methyl-1,2,4-triazol-3-yl]propanamide IUPAC Name: 3-[5-[2-[4-(dimethylamino)anilino]-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]propanamide Traditional Name: 3-[5-[[2-[4-(dimethylamino)anilino]-2-keto-ethyl]thio]-4-methyl-1,2,4-triazol-3-yl]propionamide Formula: C16H22N6O2S MolecularWeight: 362.44988

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)N(C)C)CCC(=O)N

Isomeric SMILES

CN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)N(C)C)CCC(=O)N

InChI

InChI=1S/C16H22N6O2S/c1-21(2)12-6-4-11(5-7-12)18-15(24)10-25-16-20-19-14(22(16)3)9-8-13(17)23/h4-7H,8-10H2,1-3H3,(H2,17,23)(H,18,24)